(4,6-dimethyl-2H-pyrazolo[3,4-b]pyridin-3-yl)-piperidin-1-yldiazene

C13H18N6 — CID 700515

IUPAC(4,6-dimethyl-2H-pyrazolo[3,4-b]pyridin-3-yl)-piperidin-1-yldiazene
SMILESCc1cc(C)c2c(N=NN3CCCCC3)[nH]nc2n1
InChIInChI=1S/C13H18N6/c1-9-8-10(2)14-12-11(9)13(16-15-12)17-18-19-6-4-3-5-7-19/h8H,3-7H2,1-2H3,(H,14,15,16)
InChIKeyJBICABPBRPGFNV-UHFFFAOYSA-N
MW258.33 g/mol
LogP3.06
Rot. Bonds2

About (4,6-dimethyl-2H-pyrazolo[3,4-b]pyridin-3-yl)-piperidin-1-yldiazene

(4,6-dimethyl-2H-pyrazolo[3,4-b]pyridin-3-yl)-piperidin-1-yldiazene (PubChem CID 700515) has the molecular formula C13H18N6 and a molecular weight of 258.33 g/mol. Its IUPAC name is (4,6-dimethyl-2H-pyrazolo[3,4-b]pyridin-3-yl)-piperidin-1-yldiazene.

Molecular Properties

Compound Name(4,6-dimethyl-2H-pyrazolo[3,4-b]pyridin-3-yl)-piperidin-1-yldiazene
PubChem CID700515
Molecular FormulaC13H18N6
Molecular Weight258.33 g/mol
Exact Mass258.16
IUPAC Name(4,6-dimethyl-2H-pyrazolo[3,4-b]pyridin-3-yl)-piperidin-1-yldiazene
SMILESCc1cc(C)c2c(N=NN3CCCCC3)[nH]nc2n1
InChIInChI=1S/C13H18N6/c1-9-8-10(2)14-12-11(9)13(16-15-12)17-18-19-6-4-3-5-7-19/h8H,3-7H2,1-2H3,(H,14,15,16)
InChIKeyJBICABPBRPGFNV-UHFFFAOYSA-N
XLogP3.06
TPSA69.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.33
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4,6-dimethyl-2H-pyrazolo[3,4-b]pyridin-3-yl)-piperidin-1-yldiazene?
The IUPAC name of (4,6-dimethyl-2H-pyrazolo[3,4-b]pyridin-3-yl)-piperidin-1-yldiazene (CID 700515) is (4,6-dimethyl-2H-pyrazolo[3,4-b]pyridin-3-yl)-piperidin-1-yldiazene.
What is the SMILES notation for (4,6-dimethyl-2H-pyrazolo[3,4-b]pyridin-3-yl)-piperidin-1-yldiazene?
The canonical SMILES for (4,6-dimethyl-2H-pyrazolo[3,4-b]pyridin-3-yl)-piperidin-1-yldiazene is Cc1cc(C)c2c(N=NN3CCCCC3)[nH]nc2n1.
What is the InChIKey of (4,6-dimethyl-2H-pyrazolo[3,4-b]pyridin-3-yl)-piperidin-1-yldiazene?
The InChIKey is JBICABPBRPGFNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6/c1-9-8-10(2)14-12-11(9)13(16-15-12)17-18-19-6-4-3-5-7-19/h8H,3-7H2,1-2H3,(H,14,15,16).
What are the key properties of (4,6-dimethyl-2H-pyrazolo[3,4-b]pyridin-3-yl)-piperidin-1-yldiazene?
(4,6-dimethyl-2H-pyrazolo[3,4-b]pyridin-3-yl)-piperidin-1-yldiazene has a molecular weight of 258.33 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4,6-dimethyl-2H-pyrazolo[3,4-b]pyridin-3-yl)-piperidin-1-yldiazene is sourced from PubChem (CID 700515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).